Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 15/20 | 0.71 |
| ▸ | PPARD | Q03181 | 7/20 | 0.71 |
| ▸ | PPARG | P37231 | 7/20 | 0.68 |
| ▸ | PPARA | Q07869 | 5/20 | 0.68 |
| ▸ | HSPH1 | Q92598 | 1/20 | 0.55 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP10 | P09238 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20839733 | 0.87 | NR1H4 (0.72) | NR1H4PPARDPPARGPPARAHSPH1 | |
| SCHEMBL20839687 | 0.83 | NR1H4 (1.00) | NR1H4PPARDPPARGPPARAHSPH1 | |
| SCHEMBL20839629 | 0.78 | NR1H4 (0.56) | NR1H4PPARDPPARGPPARAHDAC1 | |
| SCHEMBL20852079 | 0.76 | NR1H4 (0.81) | NR1H4PPARDPPARGPPARAHSPH1 | |
| SCHEMBL20839658 | 0.74 | NR1H4 (0.71) | NR1H4PPARDPPARGPPARAHSPH1 | |
| SCHEMBL3875270 | 0.73 | TRPV1 (0.61) | HDAC1 | |
| SCHEMBL4579561 | 0.73 | HDAC1 (0.71) | HDAC1 | |
| SCHEMBL20839731 | 0.73 | NR1H4 (0.80) | NR1H4PPARDPPARGPPARAHSPH1 | |
| SCHEMBL4578962 | 0.73 | HDAC1 (0.79) | HDAC1 | |
| SCHEMBL4580580 | 0.71 | HDAC1 (0.55) | HDAC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019057969-A1 | DUAL AGONISTS OF FXR AND PPARδ AND THEIR USES | Johann Wolfgang Goethe-Universität (DE) | 2019-03-28 | — | — | WO | disclosed |